4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid

C18H16N4O4 — CID 162138087

IUPAC4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2nnn(Cc3ccc(C(=O)CO)cc3)n2)cc1
InChIInChI=1S/C18H16N4O4/c23-11-16(24)14-5-3-13(4-6-14)10-22-20-17(19-21-22)9-12-1-7-15(8-2-12)18(25)26/h1-8,23H,9-11H2,(H,25,26)
InChIKeyZJOCOOJVBVTMGW-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.19
Rot. Bonds7

About 4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid

4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid (PubChem CID 162138087) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid
PubChem CID162138087
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cc2nnn(Cc3ccc(C(=O)CO)cc3)n2)cc1
InChIInChI=1S/C18H16N4O4/c23-11-16(24)14-5-3-13(4-6-14)10-22-20-17(19-21-22)9-12-1-7-15(8-2-12)18(25)26/h1-8,23H,9-11H2,(H,25,26)
InChIKeyZJOCOOJVBVTMGW-UHFFFAOYSA-N
XLogP1.19
TPSA118.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid?
The IUPAC name of 4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid (CID 162138087) is 4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid?
The canonical SMILES for 4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid is O=C(O)c1ccc(Cc2nnn(Cc3ccc(C(=O)CO)cc3)n2)cc1.
What is the InChIKey of 4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid?
The InChIKey is ZJOCOOJVBVTMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c23-11-16(24)14-5-3-13(4-6-14)10-22-20-17(19-21-22)9-12-1-7-15(8-2-12)18(25)26/h1-8,23H,9-11H2,(H,25,26).
What are the key properties of 4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid?
4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid has a molecular weight of 352.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[4-(2-hydroxyacetyl)phenyl]methyl]tetrazol-5-yl]methyl]benzoic acid is sourced from PubChem (CID 162138087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).